(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol

C9H18O5 — CID 70800080

IUPAC(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
SMILESCO[C@@]1(C)OC(C)[C@@H](O)[C@@H](O)C1(C)O
InChIInChI=1S/C9H18O5/c1-5-6(10)7(11)8(2,12)9(3,13-4)14-5/h5-7,10-12H,1-4H3/t5?,6-,7-,8?,9+/m1/s1
InChIKeyGZVYJDBWZPDSFD-NHXOTDAESA-N
MW206.24 g/mol
LogP-0.76
Rot. Bonds1

About (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol

(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol (PubChem CID 70800080) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
PubChem CID70800080
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
SMILESCO[C@@]1(C)OC(C)[C@@H](O)[C@@H](O)C1(C)O
InChIInChI=1S/C9H18O5/c1-5-6(10)7(11)8(2,12)9(3,13-4)14-5/h5-7,10-12H,1-4H3/t5?,6-,7-,8?,9+/m1/s1
InChIKeyGZVYJDBWZPDSFD-NHXOTDAESA-N
XLogP-0.76
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol?
The IUPAC name of (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol (CID 70800080) is (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol.
What is the SMILES notation for (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol?
The canonical SMILES for (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol is CO[C@@]1(C)OC(C)[C@@H](O)[C@@H](O)C1(C)O.
What is the InChIKey of (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol?
The InChIKey is GZVYJDBWZPDSFD-NHXOTDAESA-N. The full InChI is InChI=1S/C9H18O5/c1-5-6(10)7(11)8(2,12)9(3,13-4)14-5/h5-7,10-12H,1-4H3/t5?,6-,7-,8?,9+/m1/s1.
What are the key properties of (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol?
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol is sourced from PubChem (CID 70800080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).